UCSF

ZINC19621150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 3.61 -33.96 3 5 1 52 278.376 3
Mid Mid (pH 6-8) 0.80 3.62 -33.09 3 5 1 52 278.376 3
Mid Mid (pH 6-8) 0.80 1.3 -6.86 2 5 0 51 277.368 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )